New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]

Polina Topchiyan; Danila Vasilchenko; Sergey Tkachev; Iraida Baidina; Ilya Korolkov; Dmitriy Sheven; Semen Berdyugin; Sergey Korenev

doi:10.1016/j.molstruc.2019.01.013

New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO₂)₃(H₂O)₃]

Polina Topchiyan, Danila Vasilchenko, Sergey Tkachev, Iraida Baidina, Ilya Korolkov, Dmitriy Sheven, Semen Berdyugin, Sergey Korenev

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

Аннотация

An aqueous solution of fac-[Ir(H₂O)₃(NO₂)₃] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H₂O) (bpy) (NO₂)₃] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO₂)₃ (bpy)]·2H₂O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H₂O)₃(NO₂)₃] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.

Язык оригинала	английский
Страницы (с-по)	100-108
Число страниц	9
Журнал	Journal of Molecular Structure
Том	1182
DOI	https://doi.org/10.1016/j.molstruc.2019.01.013
Состояние	Опубликовано - 15 апр 2019

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10.1016/j.molstruc.2019.01.013

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title = "New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]",

abstract = "An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.",

keywords = "Aquacomplexes, DFT, Iridium, Nitrocomplexes, NMR, X-ray structure, FORMIC-ACID, CP-ASTERISK, EFFECTIVE CORE POTENTIALS, MOLECULAR-ORBITAL METHODS, CRYSTAL-STRUCTURE, IMPLEMENTATION, SOLUBLE CARBONYL-COMPOUNDS, AMBIENT-TEMPERATURE, DEPENDENT TRANSFER HYDROGENATION, DENSITY",

author = "Polina Topchiyan and Danila Vasilchenko and Sergey Tkachev and Iraida Baidina and Ilya Korolkov and Dmitriy Sheven and Semen Berdyugin and Sergey Korenev",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier B.V.",

year = "2019",

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day = "15",

doi = "10.1016/j.molstruc.2019.01.013",

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New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO₂)₃(H₂O)₃]. / Topchiyan, Polina; Vasilchenko, Danila; Tkachev, Sergey; Baidina, Iraida; Korolkov, Ilya; Sheven, Dmitriy; Berdyugin, Semen; Korenev, Sergey.

В: Journal of Molecular Structure, Том 1182, 15.04.2019, стр. 100-108.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

TY - JOUR

T1 - New heteroleptic iridium(III) nitro complexes derived from fac-[Ir(NO2)3(H2O)3]

AU - Topchiyan, Polina

AU - Vasilchenko, Danila

AU - Tkachev, Sergey

AU - Baidina, Iraida

AU - Korolkov, Ilya

AU - Sheven, Dmitriy

AU - Berdyugin, Semen

AU - Korenev, Sergey

PY - 2019/4/15

Y1 - 2019/4/15

N2 - An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.

AB - An aqueous solution of fac-[Ir(H2O)3(NO2)3] (1) was utilized as a starting material for preparation of the new heteroleptic iridium complex [Ir(H2O) (bpy) (NO2)3] (2). From alkaline solutions of 2, the salt Na [Ir(OH) (NO2)3 (bpy)]·2H2O was isolated and its structure was determined by X-ray structure analysis. Structures of new compounds 2 and 3 as well as the parent complex 1 was characterized using multinuclear magnetic resonance spectroscopy and mass spectrometry. The structures of parent fac-[Ir(H2O)3(NO2)3] and complexes 2 and 3 were probed by employing density functional theory (DFT) calculations.

KW - Aquacomplexes

KW - DFT

KW - Iridium

KW - Nitrocomplexes

KW - NMR

KW - X-ray structure

KW - FORMIC-ACID

KW - CP-ASTERISK

KW - EFFECTIVE CORE POTENTIALS

KW - MOLECULAR-ORBITAL METHODS

KW - CRYSTAL-STRUCTURE

KW - IMPLEMENTATION

KW - SOLUBLE CARBONYL-COMPOUNDS

KW - AMBIENT-TEMPERATURE

KW - DEPENDENT TRANSFER HYDROGENATION

KW - DENSITY

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M3 - Article

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JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

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